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Me

  • Now PhD Student @ Xi'an Jiaotong University.
  • No overseas experience.(thanks to web and me got online oversea activities...

Learning

  • Electronic Structure Theory the Hard Way by coding. See PyGTOInt and PyRHF for details.
  • How Machine Learning Help Chemists Know About the World.
  • Whether I can Concentrate more on Problems instead of papers(No

Contact Me

Han Y.B.'s Projects

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dpdata icon dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

dpdispatcher icon dpdispatcher

generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish

dpgen icon dpgen

The deep potential generator

pyrhf icon pyrhf

Full Python code for learning RHF

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